SCHEMBL14866633

SCHEMBL14866633

CC(=O)c1cc(-c2ccc(C)c(C(=O)O)c2)ccc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.58
CFD P00746 1/20 0.50
KDM4E B2RXH2 1/20 0.48
GFER P55789 1/20 0.48
KMT2A Q03164 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
RXRB P28702 2/20 0.45
ACMSD Q8TDX5 3/20 0.44
HNF4A P41235 2/20 0.44
DHFR P00374 1/20 0.44
RXRA P19793 1/20 0.44
LCK P06239 1/20 0.42
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
PTGER4 P35408 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
CYP1A2 P05177 1/20 0.40
RARB P10826 2/20 0.40
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL70164 0.92 MCL1 (0.66) MCL1CFDKDM4EGFERKMT2A
Hydrochloric Acid SCHEMBL9153007 0.90 MCL1 (0.63) MCL1CFDKDM4EGFERKMT2A
SCHEMBL10024252 0.87 MAPT (0.55) MCL1CFDKDM4EGFERKMT2A
SCHEMBL7125464 0.86 MAPT (0.53) MCL1KDM4EGFERACMSDHNF4A
SCHEMBL4966627 0.84 MCL1 (0.70) MCL1CFDKDM4EGFERKMT2A
SCHEMBL9154339 0.84 MCL1 (0.62) MCL1CFDKDM4EGFERKMT2A
SCHEMBL5255978 0.84 MCL1 (0.63) MCL1ACMSDHNF4ADHFRAKR1C2
SCHEMBL10024279 0.84 MCL1 (0.63) MCL1ACMSDHNF4ADHFRAKR1C2
SCHEMBL10024260 0.83 ACLY (0.49) MCL1ACMSDHNF4ADHFRAKR1C2
SCHEMBL10024268 0.82 MCL1 (0.61) MCL1CFDKDM4EGFERKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9669098-B2 Metal-organic frameworks with exceptionally large pore aperatures THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-06 US disclosed
US-20160008472-A1 METAL-ORGANIC FRAMEWORKS WITH EXCEPTIONALLY LARGE PORE APERATURES UNITED STATES DEPARTMENT OF ENERGY 2016-01-14 US disclosed
US-9078922-B2 Metal-organic frameworks with exceptionally large pore aperatures THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-07-14 US disclosed
US-20130096210-A1 METAL-ORGANIC FRAMEWORKS WITH EXCEPTIONALLY LARGE PORE APERATURES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-04-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160008472-A1 METAL-ORGANIC FRAMEWORKS WITH EXCEPTIONALLY LARGE PORE APERATURES AP3M1, AP2M1, AP2A2 MCL1 1336/4885CFD 2845/4885KDM4E 2242/4885
US-20130096210-A1 METAL-ORGANIC FRAMEWORKS WITH EXCEPTIONALLY LARGE PORE APERATURES AP3M1, AP2M1, AP2A2 MCL1 1336/4885CFD 2845/4885KDM4E 2242/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.